9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C15H22N2O3 — CID 115948163

IUPAC9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCCC(CC1CC1)N1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C15H22N2O3/c1-2-11(9-10-5-6-10)17-13(19)15(7-3-4-8-15)12(18)16-14(17)20/h10-11H,2-9H2,1H3,(H,16,18,20)
InChIKeyKIEMMDBFFGDAOX-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.20
Rot. Bonds4

About 9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 115948163) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID115948163
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCCC(CC1CC1)N1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C15H22N2O3/c1-2-11(9-10-5-6-10)17-13(19)15(7-3-4-8-15)12(18)16-14(17)20/h10-11H,2-9H2,1H3,(H,16,18,20)
InChIKeyKIEMMDBFFGDAOX-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600692
4-(1-cyclopropylpropan-2-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948275
9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599241
4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598786
9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112598654
9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947707
4-but-3-yn-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 114421001
2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
CID 112599394
8-(1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947109
1-(1-cyclopropylbutan-2-yl)imidazolidine-2,4-dione
CID 79777087
methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate
CID 115947447
9-(1-cyclopropylbutan-2-yl)-6,9-diazaspiro[4.5]decane
CID 64952028

Frequently Asked Questions

What is the IUPAC name of 9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 115948163) is 9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is CCC(CC1CC1)N1C(=O)NC(=O)C2(CCCC2)C1=O.
What is the InChIKey of 9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is KIEMMDBFFGDAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-11(9-10-5-6-10)17-13(19)15(7-3-4-8-15)12(18)16-14(17)20/h10-11H,2-9H2,1H3,(H,16,18,20).
What are the key properties of 9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 278.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-cyclopropylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 115948163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).